1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

C12H21NO2 — CID 62803286

IUPAC1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)C1COCCO1
InChIInChI=1S/C12H21NO2/c1-13-12(10-5-3-2-4-6-10)11-9-14-7-8-15-11/h5,11-13H,2-4,6-9H2,1H3
InChIKeyQNGZFDOKQNUUBZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds3

About 1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (PubChem CID 62803286) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
PubChem CID62803286
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)C1COCCO1
InChIInChI=1S/C12H21NO2/c1-13-12(10-5-3-2-4-6-10)11-9-14-7-8-15-11/h5,11-13H,2-4,6-9H2,1H3
InChIKeyQNGZFDOKQNUUBZ-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (CID 62803286) is 1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is CNC(C1=CCCCC1)C1COCCO1.
What is the InChIKey of 1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The InChIKey is QNGZFDOKQNUUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13-12(10-5-3-2-4-6-10)11-9-14-7-8-15-11/h5,11-13H,2-4,6-9H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine has a molecular weight of 211.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62803286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).